SCHEMBL7590353

SCHEMBL7590353

C=CCN(CC=C)c1ccc(N(c2ccc(N)cc2)c2ccc(N(CC=C)CC=C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 2/20 0.52
GFER P55789 2/20 0.52
PSMD14 O00487 1/20 0.52
RECQL P46063 1/20 0.52
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
CHKA P35790 1/20 0.40
ESRRG P62508 1/20 0.33
CNR1 P21554 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL127344 0.94 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1L3MBTL1MAPK1
SCHEMBL7162904 0.89 CHKA (0.46) ALDH1A1CYP3A4TDP1L3MBTL1MAPK1
SCHEMBL6466250 0.89 CHKA (0.46) ALDH1A1CYP3A4TDP1L3MBTL1MAPK1
SCHEMBL8204834 0.86 ALDH1A1 (0.67) ALDH1A1CYP3A4TDP1L3MBTL1MAPK1
SCHEMBL6140286 0.85 CYP3A4 (0.52) ALDH1A1CYP3A4TDP1L3MBTL1MAPK1
SCHEMBL11314504 0.83 TDP1 (0.50) ALDH1A1CYP3A4TDP1L3MBTL1MAPK1
SCHEMBL9559165 0.83 MAPT (0.44) ALDH1A1CYP3A4TDP1L3MBTL1MAPK1
Sulfuric Acid SCHEMBL14324849 0.83 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1L3MBTL1MAPK1
SCHEMBL11218745 0.83 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1L3MBTL1MAPK1
SCHEMBL851567 0.82 CHKA (0.50) ALDH1A1CYP3A4TDP1L3MBTL1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044911-B1 INFRARED ABSORBING POLYCARBONATE EYE PROTECTIVE LENS AMERICAN CYANAMID COMPANY (US) 1986-06-25 EP claimed
EP-0989419-B1 Composition for near infrared absorption filter, and near infrared absorption filter produced using said composition NISSHIN SPINNING (JP) 2002-05-29 EP disclosed
US-4885114-A Metallized tetra((meso)-5-methyl-2-thiophene)porphines, platinum (5-bromo octaethylporphine) and optical filters containing same BARNES ENGINEERING CO. (US) 1989-12-05 US disclosed
EP-0044911-B1 INFRARED ABSORBING POLYCARBONATE EYE PROTECTIVE LENS AMERICAN CYANAMID COMPANY (US) 1986-06-25 EP disclosed
EP-0044911-A2 Infrared absorbing polycarbonate eye protective lens AMERICAN CYANAMID COMPANY (US) 1982-02-03 EP disclosed